SCHEMBL30727447

SCHEMBL30727447

O=S(=O)(Cl)c1ccnc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
COMT P21964 7/20 0.41
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
FTO Q9C0B1 2/20 0.38
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MET P08581 1/20 0.35
AURKA O14965 1/20 0.34
PARP1 P09874 1/20 0.34
MMP14 P50281 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29159149 0.82 COMT (0.59) COMTALDH1A1HSD17B10CYP1A2ALOX15
SCHEMBL30978770 0.82 COMT (0.59) COMTALDH1A1HSD17B10CYP1A2ALOX15
SCHEMBL29228470 0.81 COMT (0.57) COMTALDH1A1HSD17B10CYP1A2ALOX15
Potassium Ion SCHEMBL30960548 0.79 ALDH1A1 (0.41) COMTALDH1A1HSD17B10CYP1A2ALOX15
SCHEMBL11043739 0.77 NCF1 (0.47) ALDH1A1HSD17B10CYP1A2ALOX15HIF1A
SCHEMBL4325354 0.76 TSHR (0.54) TRPV4ALDH1A1ALOX15HIF1ALMNA
Hydrochloric Acid SCHEMBL30871757 0.74 LMNA (0.55) TRPV4ALDH1A1ALOX15HIF1ALMNA
SCHEMBL23379789 0.72 MEN1 (0.50) COMTALDH1A1HSD17B10CYP1A2ALOX15
SCHEMBL17960045 0.72 COMT (0.47) TRPV4COMTALDH1A1HSD17B10CYP1A2
SCHEMBL11274678 0.72 COMT (0.73) COMTALDH1A1FTOLMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558479-A1 NOVEL NAPHTHYL AND ISOQUINOLINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 EP disclosed
WO-2024017858-A1 NOVEL NAPHTHYL AND ISOQUINOLINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 WO disclosed